methyl 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]benzoate

Systemtic Name: methyl 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]benzoate Openeye Name: methyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]benzoate CAS Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]benzoate Traditional Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]benzoic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3C(=O)OC)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3C(=O)OC)O)C

InChI

InChI=1S/C20H20N2O4/c1-20(2)18(23)17(14-10-12(11-21)8-9-16(14)26-20)22-15-7-5-4-6-13(15)19(24)25-3/h4-10,17-18,22-23H,1-3H3